Vitas-M small molecule compound
(5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-1-cyclohexyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL048493
SMILES CCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)C1CCCCC1)S
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H29N3O2S MW 411.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O2S/c1-2-3-12-25-13-11-17-14-16(9-10-20(17)25)15-19-21(27)24-23(29)26(22(19)28)18-7-5-4-6-8-18/h9-10,14-15,18H,2-8,11-13H2,1H3,(H,24,27,29)/b19-15+InChIKey
JKCJEXACOVJZNX-XDJHFCHBSA-NSynonyms
587002-72-0(5E)5((1butyl23dihydro1Hindol5yl)methylidene)1cyclohexyl2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BUTYL23DIHYDROINDOL5YL)METHYLIDENE)1CYCLOHEXYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((1BUTYLINDOLIN5YL)METHYLENE)1CYCLOHEXYL2THIOXOHEXAHYDROPYRIMIDINE46QUINONE
587002720
CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4CCCCC4
InChI=1SC23H29N3O2Sc12312251311171416(91020(17)25)151921(27)2423(29)26(22(19)28)187546818h910141518H281113H21H3(H242729)b1915+
MFCD05729800
ZINC000013757871
ZINC13757871
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